Chem
J-GLOBAL ID:200907080326787527   Nikkaji number:J2.300.303A

Globostellatic acid J

グロボステラト酸J
Substance type:
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula: C34H50O7
Molecular formula furigana: C34-H50-O7
Molecular weight: 570.767
InChI: InChI=1S/C34H50O7/c1-10-40-27(31(5,6)39)15-14-21(2)12-11-13-22(3)29-24(36)20-26-32(7)19-17-28(41-23(4)35)34(9,30(37)38)25(32)16-18-33(26,29)8/h11-15,25-28,39H,10,16-20H2,1-9H3,(H,37,38)/b13-11+,15-14+,21-12+,29-22-/t25-,26+,27?,28-,32+,33+,34-/m1/s1
InChI key: OGWOVOJMJVNNDW-CRLRYPEHSA-N
SMILES: CCOC(/C=C/C(=C/C=C/C(=C\1/C(=O)C[C@@H]2[C@]1(C)CC[C@@H]1[C@]2(C)CC[C@@H](OC(=O)C)[C@]1(C)C(=O)O)/C)/C)C(C)(C)O
Systematic name  (3):
  • (8S,9S,13E,15E,17E,22E)-3α-アセトキシ-25-ヒドロキシ-24-エトキシ-12-オキソ-5α-マラバリカ-13,15,17(20),22-テトラエン-29-酸
  • (3E,3aS,5aR,6R,7R,9aR,9bS)-7-(アセチルオキシ)-3-[(3E,5E,7E)-9-エトキシ-10-ヒドロキシ-6,10-ジメチルウンデカ-3,5,7-トリエン-2-イリデン]-3a,6,9a-トリメチル-2-オキソ-ドデカヒドロ-1H-シクロペンタ[a]ナフタレン-6-カルボン酸
  • (3E,3aS,5aR,6R,7R,9aR,9bS)-7-(acetyloxy)-3-[(3E,5E,7E)-9-ethoxy-10-hydroxy-6,10-dimethylundeca-3,5,7-trien-2-ylidene]-3a,6,9a-trimethyl-2-oxo-dodecahydro-1H-cyclopenta[a]naphthalene-6-carboxylic acid
Other name (3):
  • (8S,9S,13E,15E,17E,22E)-3α-Acetoxy-25-hydroxy-24-ethoxy-12-oxo-5α-malabarica-13,15,17(20),22-tetraene-29-oic acid
  • Globostellatic acid J
  • グロボステラト酸J
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